4-(2,2-diphenylacetyl)oxybenzoate

C21H15O4- — CID 6956217

IUPAC4-(2,2-diphenylacetyl)oxybenzoate
SMILESO=C([O-])c1ccc(OC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H16O4/c22-20(23)17-11-13-18(14-12-17)25-21(24)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H,22,23)/p-1
InChIKeyJCMNSAAYXTXFKN-UHFFFAOYSA-M
MW331.35 g/mol
LogP2.79
Rot. Bonds5

About 4-(2,2-diphenylacetyl)oxybenzoate

4-(2,2-diphenylacetyl)oxybenzoate (PubChem CID 6956217) has the molecular formula C21H15O4- and a molecular weight of 331.35 g/mol. Its IUPAC name is 4-(2,2-diphenylacetyl)oxybenzoate.

Molecular Properties

Compound Name4-(2,2-diphenylacetyl)oxybenzoate
PubChem CID6956217
Molecular FormulaC21H15O4-
Molecular Weight331.35 g/mol
Exact Mass331.10
IUPAC Name4-(2,2-diphenylacetyl)oxybenzoate
SMILESO=C([O-])c1ccc(OC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H16O4/c22-20(23)17-11-13-18(14-12-17)25-21(24)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H,22,23)/p-1
InChIKeyJCMNSAAYXTXFKN-UHFFFAOYSA-M
XLogP2.79
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-ethylphenyl) 2,2-diphenylacetate
CID 1226572
[4-(tetrazol-1-yl)phenyl] 2,2-diphenylacetate
CID 4815617
4-(2-iodopropanoyloxy)benzoate
CID 154609448
dimethyl 5-(2,2-diphenylacetyl)oxybenzene-1,3-dicarboxylate
CID 2463089
(3-bromophenyl) 2,2-diphenylacetate
CID 19114604
phenyl 2-(2-nitrophenyl)-2-phenylacetate
CID 23292464
phenyl (2R)-2-hydroxy-2-phenylacetate
CID 15685596
cadmium benzoate
CID 170839001
triazanium;tribenzoate
CID 161450646
cerium(3+) tribenzoate
CID 6452877
aluminum dibenzoate
CID 18679092
cobalt(3+) tribenzoate
CID 20537733

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-diphenylacetyl)oxybenzoate?
The IUPAC name of 4-(2,2-diphenylacetyl)oxybenzoate (CID 6956217) is 4-(2,2-diphenylacetyl)oxybenzoate.
What is the SMILES notation for 4-(2,2-diphenylacetyl)oxybenzoate?
The canonical SMILES for 4-(2,2-diphenylacetyl)oxybenzoate is O=C([O-])c1ccc(OC(=O)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-(2,2-diphenylacetyl)oxybenzoate?
The InChIKey is JCMNSAAYXTXFKN-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H16O4/c22-20(23)17-11-13-18(14-12-17)25-21(24)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H,22,23)/p-1.
What are the key properties of 4-(2,2-diphenylacetyl)oxybenzoate?
4-(2,2-diphenylacetyl)oxybenzoate has a molecular weight of 331.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diphenylacetyl)oxybenzoate is sourced from PubChem (CID 6956217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).